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Hexagonal perovskites with cationic vacancies. 18. Structure of the rhombohedral 12 L-stacking polytypes Ba/sub 2/La/sub 2/Bsup(II)(W/sub 2/sup(VI)vacantO/sub 12/)

Abstract

According to the intensity calcualtions for Ba/sub 2/La/sub 2/Zn(W/sub 2/vacantO/sub 12/) the compounds of this type crystallize in the space group R3m-Dsub(3d)/sup 5/ with the sequence (3)(1)equivalent (hhcc)/sub 3/. The refined, intensity related R' value is 5,8%. The octahedral net consists of blocks of three face connected octahedra which are linked to each other by corner sharing BO/sub 6/ octahedra. The cationic vacancies are located in the centers of the groups of three octahedra. The two tungsten atoms in the outer positions are displaces by about 0.13 A from their ideal positions in direction of the central void. The (Ba, La) atoms neighbouring a vacancy (all in hexagonal close packed (Ba, La)O/sub 3/ sheets) are also dislocated in direction of the void, while the (Ba, La) atoms in the cubic packed sheets maintain nearly their ideal positions. The vibrational spectra of the compounds Ba/sub 2/La/sub 2/ Bsup(II)(W/sub 2/vacantO/sub 12/) are discussed. The force constants for the W/sub 2/vacantO/sub 12/ groups (factor group and Ppoint Dsub(3d)) were calculated and compared with the correspoinding values of Re/sub 2/vacantO/sub 12/ and ReWvacantO/sub 12/ units.
Authors:
Rother, H J; Fadini, A; Kemmler-Sack, S [1] 
  1. Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2
Publication Date:
Apr 01, 1980
Product Type:
Journal Article
Reference Number:
AIX-11-554465; EDB-80-128932
Resource Relation:
Journal Name: Z. Anorg. Allg. Chem.; (German Democratic Republic); Journal Volume: 63
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; BARIUM COMPOUNDS; HEXAGONAL LATTICES; LANTHANUM COMPOUNDS; TUNGSTEN COMPOUNDS; ZINC COMPOUNDS; EXPERIMENTAL DATA; INFRARED SPECTRA; LATTICE PARAMETERS; RAMAN SPECTRA; SPACE GROUPS; THEORETICAL DATA; TUNGSTATES; VACANCIES; X-RAY DIFFRACTION; ALKALINE EARTH METAL COMPOUNDS; COHERENT SCATTERING; CRYSTAL DEFECTS; CRYSTAL LATTICES; CRYSTAL STRUCTURE; DATA; DIFFRACTION; INFORMATION; NUMERICAL DATA; POINT DEFECTS; RARE EARTH COMPOUNDS; SCATTERING; SPECTRA; TRANSITION ELEMENT COMPOUNDS; 400201* - Chemical & Physicochemical Properties
OSTI ID:
6812538
Country of Origin:
Germany
Language:
German
Other Identifying Numbers:
Journal ID: CODEN: ZAACA
Submitting Site:
INIS
Size:
Pages: 137-143
Announcement Date:
Oct 01, 1980

Citation Formats

Rother, H J, Fadini, A, and Kemmler-Sack, S. Hexagonal perovskites with cationic vacancies. 18. Structure of the rhombohedral 12 L-stacking polytypes Ba/sub 2/La/sub 2/Bsup(II)(W/sub 2/sup(VI)vacantO/sub 12/). Germany: N. p., 1980. Web. doi:10.1002/zaac.19804630119.
Rother, H J, Fadini, A, & Kemmler-Sack, S. Hexagonal perovskites with cationic vacancies. 18. Structure of the rhombohedral 12 L-stacking polytypes Ba/sub 2/La/sub 2/Bsup(II)(W/sub 2/sup(VI)vacantO/sub 12/). Germany. doi:10.1002/zaac.19804630119.
Rother, H J, Fadini, A, and Kemmler-Sack, S. 1980. "Hexagonal perovskites with cationic vacancies. 18. Structure of the rhombohedral 12 L-stacking polytypes Ba/sub 2/La/sub 2/Bsup(II)(W/sub 2/sup(VI)vacantO/sub 12/)." Germany. doi:10.1002/zaac.19804630119. https://www.osti.gov/servlets/purl/10.1002/zaac.19804630119.
@misc{etde_6812538,
title = {Hexagonal perovskites with cationic vacancies. 18. Structure of the rhombohedral 12 L-stacking polytypes Ba/sub 2/La/sub 2/Bsup(II)(W/sub 2/sup(VI)vacantO/sub 12/)}
author = {Rother, H J, Fadini, A, and Kemmler-Sack, S}
abstractNote = {According to the intensity calcualtions for Ba/sub 2/La/sub 2/Zn(W/sub 2/vacantO/sub 12/) the compounds of this type crystallize in the space group R3m-Dsub(3d)/sup 5/ with the sequence (3)(1)equivalent (hhcc)/sub 3/. The refined, intensity related R' value is 5,8%. The octahedral net consists of blocks of three face connected octahedra which are linked to each other by corner sharing BO/sub 6/ octahedra. The cationic vacancies are located in the centers of the groups of three octahedra. The two tungsten atoms in the outer positions are displaces by about 0.13 A from their ideal positions in direction of the central void. The (Ba, La) atoms neighbouring a vacancy (all in hexagonal close packed (Ba, La)O/sub 3/ sheets) are also dislocated in direction of the void, while the (Ba, La) atoms in the cubic packed sheets maintain nearly their ideal positions. The vibrational spectra of the compounds Ba/sub 2/La/sub 2/ Bsup(II)(W/sub 2/vacantO/sub 12/) are discussed. The force constants for the W/sub 2/vacantO/sub 12/ groups (factor group and Ppoint Dsub(3d)) were calculated and compared with the correspoinding values of Re/sub 2/vacantO/sub 12/ and ReWvacantO/sub 12/ units.}
doi = {10.1002/zaac.19804630119}
journal = {Z. Anorg. Allg. Chem.; (German Democratic Republic)}
volume = {63}
journal type = {AC}
place = {Germany}
year = {1980}
month = {Apr}
}